dichloro-2,5-dihydrofuran-2,5-dione

• ChemBase ID: 56070
• Molecular Formular: C4Cl2O3
• Molecular Mass: 166.947
• Monoisotopic Mass: 165.92244922
• SMILES: C1(=C(C(=O)OC1=O)Cl)Cl
• Canonical SMILES: O=C1OC(=O)C(=C1Cl)Cl
• InChI: InChI=1S/C4Cl2O3/c5-1-2(6)4(8)9-3(1)7
• InChIKey: AGULWIQIYWWFBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro-2,5-dihydrofuran-2,5-dione
• IUPAC Traditional name: dichlorofuran-2,5-dione
• Synonyms: 3,4-Dichlorofuran-2,5-dione; DICHLOROMALEIC ANHYDRIDE; 2,3-Dichloromaleic anhydride; 3,4-dichloro-2,5-dihydrofuran-2,5-dione; 2,3-二氯马来酸酐

Database IDs

• CAS Number: 1122-17-4
• EC Number: 214-343-0
• MDL Number: MFCD00005520
• Beilstein Number: 121027
• PubChem SID: 24894030; 162060833; 24862058
• PubChem CID: 70728

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.337829
• LogD (pH = 7.4): 1.337829
• Log P: 1.337829
• Molar Refractivity: 30.9842 cm^3
• Polarizability: 12.063726 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ~120 °C; 107 - 109°C
• Hydrophobicity(logP): 1.295

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥96.0% (HPLC); 95%; 97%
• Grade: purum
• Empirical Formula (Hill Notation): C4Cl2O3

DETAILS

MP Biomedicals - 05202974

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D65003

Packaging
5, 25, 100 g in glass bottle